<div dir="ltr"><div><div><div><div><div>Dear PWSCF,<br><br></div>I can able to run the tetra_example file in the Example/PHonon/tetra_example.<br><br></div>After successful run i am getting the following files.<br><br>al.dyn0           al.dyn1.elph.1  al.dyn3.elph.3  al.dyn5.elph.5  al.dyn7.elph.7  al.dyn9.elph.9  al.ph.out   lambda.out  TMP<br>al.dyn1           al.dyn2         al.dyn4         al.dyn6         al.dyn8         <a href="http://al.elph.in">al.elph.in</a>      <a href="http://al.scf.in">al.scf.in</a>   <br>al.dyn10          al.dyn2.elph.2  al.dyn4.elph.4  al.dyn6.elph.6  al.dyn8.elph.8  al.elph.out     al.scf.out  <br>al.dyn10.elph.10  al.dyn3         al.dyn5         al.dyn7         al.dyn9         <a href="http://al.ph.in">al.ph.in</a>        <a href="http://lambda.in">lambda.in</a>  <br><br></div>with these files i want to plot the phonon dispersion within the BZ. <br></div>When i try to use <a href="http://q2r.in">q2r.in</a> as shown bellow <br><br> &input<br>  zasr='simple',  fildyn='al.dyn', flfrc='Al444.fc', la2F=.true.<br> /<br><br></div>It is giving error in q2r.out like bellow.<br><br>    Program Q2R v.6.1 (svn rev. 13369) starts on  4May2017 at  7:52:41<br><br>     This program is part of the open-source Quantum ESPRESSO suite<br>     for quantum simulation of materials; please cite<br>         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);<br>          URL <a href="http://www.quantum-espresso.org">http://www.quantum-espresso.org</a>",<br>     in publications or presentations arising from this work. More details at<br>     <a href="http://www.quantum-espresso.org/quote">http://www.quantum-espresso.org/quote</a><br><br>     Serial version<br><br>     reading grid info from file al.dyn0<br>  reading force constants from file al.dyn1<br>  nqs=            8<br> q=  -0.12500000  0.12500000  0.12500000<br><br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>     Error in routine init (1):<br>     q not allowed<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br>     stopping ...<br><br><div><div><div><div>What i need to do to overcome the error and get the phonon dispersion plot. And also i want to plot λq and ωq around<span class=""> the different high symmetry points within the BZ.<br><br></span></div><div><span class="">Please suggest some way to get things.<br><br></span></div><div><span class="">Thanking you.<br></span></div><div><br clear="all"><div><div><div><div><br>-- <br><div class="gmail_signature"><i>P.V.SREENIVASA REDDY</i><br><i>Research Scholar<br>Department of Physics</i><br><div><i>Indian Institute of Technology</i></div><div><i>Hyderabad</i></div></div>
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